Geometry & MOs

Info

ID:	429860
PubChem CID:	135169913
Reduced:	Cl2F3N9H12C20 (1)
Stoich.:	A2B3C9D12E20 (1)
Weight, g/mol:	507.96216
ΔH_f, kcal/mol:	72.5
Dipole, Da:	6.08
IP(EA), eV:	-9.22(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-chloro-8-methylquinolin-6-yl)-5-(methylcarbamoyl)pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite

Drug info:

PubChemData

Smile

C=C(C1=C(N(N=C1)C2=CC=CC3=NC=C(N32)Cl)C(F)(F)F)NC4=CC(=C(N=C4)N5N=CC=N5)Cl

DOS

IR

Vibrations